Synonyms
MFCD12911904;1119821-62-3;micro-Benzenebis[N,N'-(1,3-dimethyl-1,3-propanediylidene)bis(2,6-dichlorobenzenaminato)] dicopper(I), benzene adduct;
IUPAC Name
benzene;copper(1+);2,6-dichloroaniline;4-iminopentan-2-ylideneazanide;
Molecular Weight
1047.54g/mol
Molecular Formula
C40H44Cl8Cu2N8;
Canonical SMILES
CC(=N)CC(=[N-])C.CC(=N)CC(=[N-])C.C1=CC=CC=C1.C1=CC(=C(C(=C1)Cl)N)Cl.C1=CC(=C(C(=C1)Cl)N)Cl.C1=CC(=C(C(=C1)Cl)N)Cl.C1=CC(=C(C(=C1)Cl)N)Cl.[Cu+].[Cu+];
InChI
InChI=1S/4C6H5Cl2N.C6H6.2C5H9N2.2Cu/c4*7-4-2-1-3-5(8)6(4)9;1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;/h4*1-3H,9H2;1-6H;2*6H,3H2,1-2H3;;/q;;;;;2*-1;2*+1;
InChI Key
VKWAMXCEKTUPCV-UHFFFAOYSA-N;
Complexity
201
Covalently-Bonded Unit Count
9
Exact Mass
1045.973g/mol
H-Bond Acceptor
8
H-Bond Donor
6
Heavy Atom Count
58
Monoisotopic Mass
1041.979g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
154A^2
